(4R)-4-phenyl-3-[(3S)-1-phenylhex-5-en-3-yl]-1,3-oxazolidin-2-one

C21H23NO2 — CID 11809413

IUPAC(4R)-4-phenyl-3-[(3S)-1-phenylhex-5-en-3-yl]-1,3-oxazolidin-2-one
SMILESC=CC[C@H](CCc1ccccc1)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C21H23NO2/c1-2-9-19(15-14-17-10-5-3-6-11-17)22-20(16-24-21(22)23)18-12-7-4-8-13-18/h2-8,10-13,19-20H,1,9,14-16H2/t19-,20+/m1/s1
InChIKeyNOGGEPJUJUXRGR-UXHICEINSA-N
MW321.42 g/mol
LogP4.76
Rot. Bonds7

About (4R)-4-phenyl-3-[(3S)-1-phenylhex-5-en-3-yl]-1,3-oxazolidin-2-one

(4R)-4-phenyl-3-[(3S)-1-phenylhex-5-en-3-yl]-1,3-oxazolidin-2-one (PubChem CID 11809413) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is (4R)-4-phenyl-3-[(3S)-1-phenylhex-5-en-3-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-phenyl-3-[(3S)-1-phenylhex-5-en-3-yl]-1,3-oxazolidin-2-one
PubChem CID11809413
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name(4R)-4-phenyl-3-[(3S)-1-phenylhex-5-en-3-yl]-1,3-oxazolidin-2-one
SMILESC=CC[C@H](CCc1ccccc1)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C21H23NO2/c1-2-9-19(15-14-17-10-5-3-6-11-17)22-20(16-24-21(22)23)18-12-7-4-8-13-18/h2-8,10-13,19-20H,1,9,14-16H2/t19-,20+/m1/s1
InChIKeyNOGGEPJUJUXRGR-UXHICEINSA-N
XLogP4.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R)-3-[(2S,3R)-3-nitro-5-phenylpentan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 102304511
(4S)-4-phenyl-3-[(2R)-2-[(1S)-1-phenylethyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 126708215
(2R)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylacetic acid
CID 134870683
(3R,4S)-4-methyl-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl]hept-6-enoic acid
CID 146545185
4-methyl-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl]hept-6-enoic acid
CID 146545188
(4S)-4-benzyl-3-[(1E,3S)-1-phenylhexa-1,5-dien-3-yl]-1,3-oxazolidin-2-one
CID 102021010
(4R)-4-phenyl-3-[(1S)-1-trimethylsilyloxyethyl]-1,3-oxazolidin-2-one
CID 134936571
(4R)-3-[(2S)-1-nitropropan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 100948483
(4R)-3-[[2-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 138601240
(2R)-2-[(5S)-2-oxo-5-phenylmorpholin-4-yl]-4-phenylbutanenitrile
CID 10914190
(4S)-4-benzyl-3-[(2S)-2-bromopent-4-enoyl]-1,3-oxazolidin-2-one
CID 14604020
(5S,10bR)-10-hydroxy-5-phenyl-1,5,6,10b-tetrahydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one
CID 102344135

Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenyl-3-[(3S)-1-phenylhex-5-en-3-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-phenyl-3-[(3S)-1-phenylhex-5-en-3-yl]-1,3-oxazolidin-2-one (CID 11809413) is (4R)-4-phenyl-3-[(3S)-1-phenylhex-5-en-3-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-phenyl-3-[(3S)-1-phenylhex-5-en-3-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-phenyl-3-[(3S)-1-phenylhex-5-en-3-yl]-1,3-oxazolidin-2-one is C=CC[C@H](CCc1ccccc1)N1C(=O)OC[C@H]1c1ccccc1.
What is the InChIKey of (4R)-4-phenyl-3-[(3S)-1-phenylhex-5-en-3-yl]-1,3-oxazolidin-2-one?
The InChIKey is NOGGEPJUJUXRGR-UXHICEINSA-N. The full InChI is InChI=1S/C21H23NO2/c1-2-9-19(15-14-17-10-5-3-6-11-17)22-20(16-24-21(22)23)18-12-7-4-8-13-18/h2-8,10-13,19-20H,1,9,14-16H2/t19-,20+/m1/s1.
What are the key properties of (4R)-4-phenyl-3-[(3S)-1-phenylhex-5-en-3-yl]-1,3-oxazolidin-2-one?
(4R)-4-phenyl-3-[(3S)-1-phenylhex-5-en-3-yl]-1,3-oxazolidin-2-one has a molecular weight of 321.42 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenyl-3-[(3S)-1-phenylhex-5-en-3-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11809413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).